6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione (CAS 4956-13-2) is a chemical compound with molecular formula C3H3N3O2S and molecular weight 144.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-sulfanylidene-1,2,4-triazinane-3,5-dione
Also Known As: 6-MERCAPTO-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE, NCIStruc1_000206, NCIStruc2_000098, 6-sulfanylidene-1,2,4-triazinane-3,5-dione, 6-mercapto-1,2,4-triazine-3,5-diol
| Molecular Formula | C3H3N3O2S |
|---|---|
| Molecular Weight | 144.99 g/mol |
| LogP | -0.87921 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.9946 |
| Heavy Atoms | 9 |
| Complexity | 358.056 |
Chemical Identifiers
| CAS Number | 4956-13-2 |
|---|---|
| SMILES | C1(=O)C(=S)NNC(=O)N1 |
Product Overview
6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione (CAS 4956-13-2), with molecular formula C3H3N3O2S and molecular weight 144.99 g/mol. IUPAC: 6-sulfanylidene-1,2,4-triazinane-3,5-dione.
Chemical Property Profile of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of -0.87921 indicates that 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione is 4956-13-2.
What is the molecular formula of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione is C3H3N3O2S.
What is the molecular weight of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione is 144.99 g/mol.
Where can I buy 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Mercapto-1,2,4-triazine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.